methyl 4-(3-chloranyl-4-fluoranyl-phenyl)-2-methylsulfanyl-6-oxidanylidene-7,8-dihydro-5H-naphthalene-1-carboxylate

Systemtic Name: methyl 4-(3-chloranyl-4-fluoranyl-phenyl)-2-methylsulfanyl-6-oxidanylidene-7,8-dihydro-5H-naphthalene-1-carboxylate Openeye Name: methyl 8-(3-chloro-4-fluoro-phenyl)-6-methylsulfanyl-2-oxo-tetralin-5-carboxylate CAS Name: 4-(3-chloro-4-fluorophenyl)-2-(methylthio)-6-oxo-7,8-dihydro-5H-naphthalene-1-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-6-oxo-7,8-dihydro-5H-naphthalene-1-carboxylate Traditional Name: 8-(3-chloro-4-fluoro-phenyl)-2-keto-6-(methylthio)tetralin-5-carboxylic acid methyl ester Formula: C19H16ClFO3S MolecularWeight: 378.844943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCC(=O)C2)C3=CC(=C(C=C3)F)Cl)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCC(=O)C2)C3=CC(=C(C=C3)F)Cl)SC

InChI

InChI=1S/C19H16ClFO3S/c1-24-19(23)18-12-5-4-11(22)8-14(12)13(9-17(18)25-2)10-3-6-16(21)15(20)7-10/h3,6-7,9H,4-5,8H2,1-2H3